(2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide

C13H23ClN4O — CID 125161578

IUPAC(2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide
SMILESCCN(C)C(C)(C)CNC(=O)[C@H](C)n1cc(Cl)cn1
InChIInChI=1S/C13H23ClN4O/c1-6-17(5)13(3,4)9-15-12(19)10(2)18-8-11(14)7-16-18/h7-8,10H,6,9H2,1-5H3,(H,15,19)/t10-/m0/s1
InChIKeyIOPVHBPVEDEBME-JTQLQIEISA-N
MW286.81 g/mol
LogP1.94
Rot. Bonds6

About (2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide

(2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide (PubChem CID 125161578) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is (2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide
PubChem CID125161578
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name(2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide
SMILESCCN(C)C(C)(C)CNC(=O)[C@H](C)n1cc(Cl)cn1
InChIInChI=1S/C13H23ClN4O/c1-6-17(5)13(3,4)9-15-12(19)10(2)18-8-11(14)7-16-18/h7-8,10H,6,9H2,1-5H3,(H,15,19)/t10-/m0/s1
InChIKeyIOPVHBPVEDEBME-JTQLQIEISA-N
XLogP1.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Bromo-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19537573
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 56780732
1-(2-amino-2-oxoethyl)-N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 70760807
2-(4-Chloropyrazol-1-yl)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 72007509
1-(2-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-2-oxoethyl)-4-piperidinecarboxamide
CID 72893561
1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]azepan-3-amine
CID 70719252
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 51093456
3-[1-(4-methylpyrazol-1-yl)propan-2-ylamino]-N-propan-2-ylpropanamide
CID 53595702
2-[2-(4-Methylpyrazol-1-yl)ethylamino]butanamide
CID 53618326
N-[(1S*,2R*)-2-aminocyclobutyl]-3-(4-chloro-1H-pyrazol-1-yl)propanamide
CID 56903276
(3S)-1-[(4-chloro-1H-pyrazol-1-yl)acetyl]-N,N-dimethylazepan-3-amine
CID 70709104

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide?
The IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide (CID 125161578) is (2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide is CCN(C)C(C)(C)CNC(=O)[C@H](C)n1cc(Cl)cn1.
What is the InChIKey of (2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide?
The InChIKey is IOPVHBPVEDEBME-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-6-17(5)13(3,4)9-15-12(19)10(2)18-8-11(14)7-16-18/h7-8,10H,6,9H2,1-5H3,(H,15,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide?
(2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide has a molecular weight of 286.81 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide is sourced from PubChem (CID 125161578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).